(2E)-3-(4-{[2,4-Bis(Trifluoromethyl)Benzyl]Oxy}-3-Methoxyphenyl)-2-Cyano-N-[5-(Trifluoromethyl)-1,3,4-Thiadiazol-2-Yl]Acrylamide

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Properties Simple | Detailed

Formula C23H13F9N4O3S
IUPAC Name [3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxy-cyclohexa-2,4-dien-1-ylidene]-2-cyano-prop-2-enoyl]-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azanide
Molecular Mass 596.425 g·mol−1
Heat of Formation -1774.8 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 588.15 Å 3
Surface Area 519.15 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-[2,4-bis(trifluoromethyl)benzyl]oxy-3-methoxy-phenyl]-2-cyano-n-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
  • (e)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxy-phenyl]-2-cyano-n-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
  • (e)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-n-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
  • 3-[4-(2,4-bis-trifluoromethylbenzyloxy)-3-methoxyphenyl]-2-cyano-n-(5-trifluoromethyl-1,3,4-thiadiazol-2-yl)acrylamide
  • bcb03_000874
  • xct 790
  • xct-790
  • xct790
CAS Number(s)
  • 725247-18-7
InChIKey HQFNFOOGGLSBBT-AWNIVKPZSA-N
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